5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one

C12H16N2O2 — CID 28916712

IUPAC5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2ccc(CCN)cc21
InChIInChI=1S/C12H16N2O2/c1-2-7-14-10-8-9(5-6-13)3-4-11(10)16-12(14)15/h3-4,8H,2,5-7,13H2,1H3
InChIKeyDHGPACFQYIVSII-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.51
Rot. Bonds4

About 5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one

5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one (PubChem CID 28916712) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
PubChem CID28916712
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2ccc(CCN)cc21
InChIInChI=1S/C12H16N2O2/c1-2-7-14-10-8-9(5-6-13)3-4-11(10)16-12(14)15/h3-4,8H,2,5-7,13H2,1H3
InChIKeyDHGPACFQYIVSII-UHFFFAOYSA-N
XLogP1.51
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-propyl-1,3-benzoxazol-2-one
CID 70297213
5-iodo-3-propyl-1,3-benzoxazol-2-one
CID 79787557
3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one
CID 82357274
6-(1-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300066
5-amino-3-(2-propylsulfonylethyl)-1,3-benzoxazol-2-one
CID 106724662
6-[(1S)-1-aminopropyl]-3-propyl-1,3-benzoxazol-2-one
CID 82758221
3-propyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299003
6-iodo-3-propyl-1,3-benzoxazol-2-one
CID 79787233
3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one
CID 117297325
5-(aminomethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 164824001
5-amino-3-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazol-2-one
CID 103002356
6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one
CID 82341307

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one (CID 28916712) is 5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one is CCCn1c(=O)oc2ccc(CCN)cc21.
What is the InChIKey of 5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one?
The InChIKey is DHGPACFQYIVSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-7-14-10-8-9(5-6-13)3-4-11(10)16-12(14)15/h3-4,8H,2,5-7,13H2,1H3.
What are the key properties of 5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one?
5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 28916712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).